SCHEMBL691373

SCHEMBL691373

COCNCCC(=O)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.59
ALDH1A1 P00352 5/20 0.59
RAB9A P51151 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 2/20 0.59
POLB P06746 1/20 0.59
CTNNB1 P35222 2/20 0.52
WNT3A P56704 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 2/20 0.52
MCL1 Q07820 1/20 0.52
GSK3B P49841 1/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 5/20 0.49
HDAC1 Q13547 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL691269 0.98 LMNA (0.57) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL16419608 0.83 ALDH1A1 (0.65) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL170394 0.79 ALDH1A1 (0.69) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL2516127 0.79 LMNA (0.75) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL4135291 0.78 ALDH1A1 (0.57) LMNAALDH1A1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL994292 0.78 ALDH1A1 (0.57) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL16404278 0.78 ALDH1A1 (0.57) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL13518261 0.78 ALDH1A1 (0.57) LMNAALDH1A1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL992300 0.78 ALDH1A1 (0.67) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL13517942 0.77 ALDH1A1 (0.61) LMNAALDH1A1RAB9AMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957227-B2 Preparation of Duloxetine® hydrochloride using optically active methylhydroxylaminopropanol compound as an intermediate SCI PHARMTECH, INC. (TW) 2015-02-17 US disclosed
EP-2386549-B1 Process for preparing (S)-(+)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine by using an optically active methylhydroxylaminopropanol compound as intermediate SCI PHARMATECH INC (TW) 2014-03-19 EP disclosed
US-20140005414-A1 PREPARATION OF DULOXETINE HYDROCHLORIDE USING OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL COMPOUND AS AN INTERMEDIATE SCI PHARMTECH, INC. (TW) 2014-01-02 US disclosed
US-8614336-B2 Process for preparing N-methyl-N-hydroxyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine derivative SCI PHARMTECH, INC. (TW) 2013-12-24 US disclosed
US-8530674-B2 Process for preparing (S)-(+)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine by using optically active methylhydroxylaminopropanol compound as intermediate SCI PHARMTECH, INC. (TW) 2013-09-10 US disclosed
US-8420832-B2 Optically active methylhydroxylaminopropanol derivative and its use as intermediate for preparation of (S)-(-)-3-methylamino-1-(-2-thienyl)propan-1-ol SCI PHARMTECH, INC. (TW) 2013-04-16 US disclosed
US-20120190869-A1 OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AND ITS USE AS INTERMEDIATE FOR PREPARATION OF (S)-(-)-3-METHYLAMINO-1-(-2-THIENYL)PROPAN-1-OL SCI PHARMTECH, INC. (TW) 2012-07-26 US disclosed
US-8168805-B2 Optically active methylhydroxylaminopropanol compound and its use as intermediate for preparation of (S)-(−)-3-methylamino-1-(2-thienyl)propan-1-ol SCI PHARMTECH, INC (TW) 2012-05-01 US disclosed
US-8148549-B2 Preparation of (S)-(+)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl) propylamine using optically active methylhydroxylaminopropanol compound as an intermediate SCI PHARMTECH, INC. (TW) 2012-04-03 US disclosed
EP-2228372-B1 Process for Preparing (S)-(+)-N-Methyl-3-(1-Naphthyloxy)-3-(2-Thienyl-Propylamine by using Optically Active Methylhydroxylaminopropanol Compound as an Intermediate SCI PHARMATECH INC (TW) 2012-02-29 EP disclosed
EP-2386549-A1 Process for preparing (S)-(+)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine by using an optically active methylhydroxylaminopropanol compound as intermediate SCI Pharmatech, Inc. (TW) 2011-11-16 EP disclosed
US-20110275835-A1 PROCESS FOR PREPARING (S)-(+)-N-METHYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE BY USING OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL COMPOUND AS INTERMEDIATE SCI PHARMTECH, INC. (TW) 2011-11-10 US disclosed
US-8038648-B2 Injection device and method INNOVACELL BIOTECHNOLOGIE GMBH (AT) 2011-10-18 US disclosed
US-20100234620-A1 PROCESS FOR PREPARING N-METHYL-N-HYDROXYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE DERIVATIVE SCI PHARMTECH, INC. (TW) 2010-09-16 US disclosed
US-20100234619-A1 PREPARATION OF (S)-(+)-N-METHYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL) PROPYLAMINE USING OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AS AN INTERMEDIATE SCI PHARMTECH, INC. (TW) 2010-09-16 US disclosed
EP-2228372-A1 Process for Preparing (S)-(+)-N-Methyl-3-(1-Naphthyloxy)-3-(2-Thienyl-Propylamine by using Optically Active Methylhydroxylaminopropanol Compound as an Intermediate SCI Pharmatech, Inc. (TW) 2010-09-15 EP disclosed
US-20090112001-A1 OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AND ITS USE AS INTERMEDIATE FOR PREPARATION OF (S)-(-)-3-METHYLAMINO-1-(2-THIENYL)PROPAN-1-OL SCI PHARMTECH, INC. (TW) 2009-04-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140005414-A1 PREPARATION OF DULOXETINE HYDROCHLORIDE USING OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL COMPOUND AS AN INTERMEDIATE ADRA1A, ADRA2A, ADRB1 LMNA 761/4885ALDH1A1 112/4885RAB9A 2140/4885
US-20100234620-A1 PROCESS FOR PREPARING N-METHYL-N-HYDROXYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE DERIVATIVE PNMT, NNMT, HNMT LMNA 676/4885ALDH1A1 2597/4885RAB9A 4333/4885
US-20100234619-A1 PREPARATION OF (S)-(+)-N-METHYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL) PROPYLAMINE USING OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AS AN INTERMEDIATE PNMT, HNMT, BHMT2 LMNA 538/4885ALDH1A1 863/4885RAB9A 4436/4885
US-20110275835-A1 PROCESS FOR PREPARING (S)-(+)-N-METHYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE BY USING OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL COMPOUND AS INTERMEDIATE PNMT, HNMT, INMT LMNA 710/4885ALDH1A1 643/4885RAB9A 4113/4885
US-20120190869-A1 OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AND ITS USE AS INTERMEDIATE FOR PREPARATION OF (S)-(-)-3-METHYLAMINO-1-(-2-THIENYL)PROPAN-1-OL THOP1, HPD, PNMT LMNA 990/4885ALDH1A1 341/4885RAB9A 4517/4885
US-20090112001-A1 OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AND ITS USE AS INTERMEDIATE FOR PREPARATION OF (S)-(-)-3-METHYLAMINO-1-(2-THIENYL)PROPAN-1-OL THOP1, HPD, PNMT LMNA 737/4885ALDH1A1 324/4885RAB9A 4497/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.